1-(diphenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C27H29N4+ MolecularWeight: 409.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4/c1-4-10-22(11-5-1)26-25(20-28-29-26)21-30-16-18-31(19-17-30)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20,27H,16-19,21H2,(H,28,29)/p+1